4-Fluoro-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide

C₇H₅F₄NO₄S₂CAS 1027345-08-9307.23 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonamide Sulfone

Properties

Molecular formula: C₇H₅F₄NO₄S₂
Molar mass: 307.23 g/mol
Exact mass: 306.9596 Da
logP: 0.77Crippen estimate
Polar surface area: 94.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

1027345-08-9

SMILES

NS(=O)(=O)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1

InChIKey

JOESWBMGEGYULU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4NO4S2/c8-5-2-1-4(18(12,15)16)3-6(5)17(13,14)7(9,10)11/h1-3H,(H2,12,15,16)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzenesulfonamide, 4-fluoro-3-[(trifluoromethyl)sulfonyl]-
4-Fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide

Work with 4-Fluoro-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluorobenzenesulfonamide108966-71-858 % similar 2,5-Difluorobenzenesulfonamide120022-63-148 % similar 4-(Trifluoromethyl)benzenesulfonamide830-43-343 % similar 4-Fluorobenzenesulfonamide402-46-042 % similar 4-(Trifluoromethoxy)benzenesulfonamide1513-45-740 % similar 4-Amino-3-methylbenzenesulfonamide53297-70-440 % similar 4-(Difluoromethoxy)benzenesulfonamide874781-09-640 % similar 3-[(Trifluoromethyl)sulfonyl]benzenamine426-59-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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